2-chloro-4-(4-ethyl-4-methylpiperidin-1-yl)pyridine

C13H19ClN2 — CID 103756719

IUPAC2-chloro-4-(4-ethyl-4-methylpiperidin-1-yl)pyridine
SMILESCCC1(C)CCN(c2ccnc(Cl)c2)CC1
InChIInChI=1S/C13H19ClN2/c1-3-13(2)5-8-16(9-6-13)11-4-7-15-12(14)10-11/h4,7,10H,3,5-6,8-9H2,1-2H3
InChIKeyXFAQBUPYZXEUBL-UHFFFAOYSA-N
MW238.76 g/mol
LogP3.75
Rot. Bonds2

About 2-chloro-4-(4-ethyl-4-methylpiperidin-1-yl)pyridine

2-chloro-4-(4-ethyl-4-methylpiperidin-1-yl)pyridine (PubChem CID 103756719) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is 2-chloro-4-(4-ethyl-4-methylpiperidin-1-yl)pyridine.

Molecular Properties

Compound Name2-chloro-4-(4-ethyl-4-methylpiperidin-1-yl)pyridine
PubChem CID103756719
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC Name2-chloro-4-(4-ethyl-4-methylpiperidin-1-yl)pyridine
SMILESCCC1(C)CCN(c2ccnc(Cl)c2)CC1
InChIInChI=1S/C13H19ClN2/c1-3-13(2)5-8-16(9-6-13)11-4-7-15-12(14)10-11/h4,7,10H,3,5-6,8-9H2,1-2H3
InChIKeyXFAQBUPYZXEUBL-UHFFFAOYSA-N
XLogP3.75
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-ethyl-4-methylpiperidin-1-yl)pyridine?
The IUPAC name of 2-chloro-4-(4-ethyl-4-methylpiperidin-1-yl)pyridine (CID 103756719) is 2-chloro-4-(4-ethyl-4-methylpiperidin-1-yl)pyridine.
What is the SMILES notation for 2-chloro-4-(4-ethyl-4-methylpiperidin-1-yl)pyridine?
The canonical SMILES for 2-chloro-4-(4-ethyl-4-methylpiperidin-1-yl)pyridine is CCC1(C)CCN(c2ccnc(Cl)c2)CC1.
What is the InChIKey of 2-chloro-4-(4-ethyl-4-methylpiperidin-1-yl)pyridine?
The InChIKey is XFAQBUPYZXEUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c1-3-13(2)5-8-16(9-6-13)11-4-7-15-12(14)10-11/h4,7,10H,3,5-6,8-9H2,1-2H3.
What are the key properties of 2-chloro-4-(4-ethyl-4-methylpiperidin-1-yl)pyridine?
2-chloro-4-(4-ethyl-4-methylpiperidin-1-yl)pyridine has a molecular weight of 238.76 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-ethyl-4-methylpiperidin-1-yl)pyridine is sourced from PubChem (CID 103756719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).